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86134-20-5 | 2-Ethyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
CAS No: 86134-20-5 Catalog No: AG004TWO MDL No:
Product Description
Catalog Number:
AG004TWO
Chemical Name:
2-Ethyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
CAS Number:
86134-20-5
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
2-ethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
InChI:
InChI=1S/C14H13N3O2/c1-3-12-15-11-7-5-4-6-10(11)14(18)17(12)13-8-9(2)16-19-13/h4-8H,3H2,1-2H3
InChI Key:
HEODOZQRFGSFLN-UHFFFAOYSA-N
SMILES:
CCc1nc2ccccc2c(=O)n1c1onc(c1)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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